Difference between revisions of "Ec-18 001310"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTEROL CHOLESTEROL] == * smiles: ** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12935 CPD-12935] == * smiles: ** CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTEROL CHOLESTEROL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12935 CPD-12935] ==
 
* smiles:
 
* smiles:
−
** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N
+
** InChIKey=FTQSFEZUHZHOAT-BRZOAGJPSA-N
 
* common name:
 
* common name:
−
** cholesterol
+
** 4'-apo-β-carotenal
 
* molecular weight:
 
* molecular weight:
−
** 386.66    
+
** 482.748    
 
* Synonym(s):
 
* Synonym(s):
−
** 5-cholestene-3β-ol
+
** β-apo-4'-carotenal
 +
** 4'-apo-β,ψ-caroten-4'-al
 +
** 4'-apo-β,ψ-carotenal
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12693]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-323]]
+
* [[RXN-11989]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 57-88-5
 
−
* DRUGBANK : DB04540
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5997 5997]
 
−
* HMDB : HMDB00067
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00187 C00187]
+
** [http://www.genome.jp/dbget-bin/www_bget?C19892 C19892]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.5775.html 5775]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16113 16113]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=53157 53157]
−
* METABOLIGHTS : MTBLC16113
+
* PUBCHEM:
−
{{#set: smiles=CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44224033 44224033]
−
{{#set: inchi key=InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N}}
+
{{#set: smiles=CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)}}
−
{{#set: common name=cholesterol}}
+
{{#set: inchi key=InChIKey=FTQSFEZUHZHOAT-BRZOAGJPSA-N}}
−
{{#set: molecular weight=386.66   }}
+
{{#set: common name=4'-apo-β-carotenal}}
−
{{#set: common name=5-cholestene-3β-ol}}
+
{{#set: molecular weight=482.748   }}
−
{{#set: consumed by=RXN-12693}}
+
{{#set: common name=β-apo-4'-carotenal|4'-apo-β,ψ-caroten-4'-al|4'-apo-β,ψ-carotenal}}
−
{{#set: produced by=RXN66-323}}
+
{{#set: produced by=RXN-11989}}

Revision as of 14:18, 21 March 2018

Metabolite CPD-12935

  • smiles:
    • CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)
  • inchi key:
    • InChIKey=FTQSFEZUHZHOAT-BRZOAGJPSA-N
  • common name:
    • 4'-apo-β-carotenal
  • molecular weight:
    • 482.748
  • Synonym(s):
    • β-apo-4'-carotenal
    • 4'-apo-β,ψ-caroten-4'-al
    • 4'-apo-β,ψ-carotenal

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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